SCHEMBL9530276

SCHEMBL9530276

COc1ccc(N2CCN(C3(C)CN(c4ccccc4)c4ccccc4O3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NPY1R P25929 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOB P27338 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9530054 0.91 SIGMAR1 (0.39) MAPTNPY1RSMN1; SMN2GAAALDH1A1
SCHEMBL9455127 0.85 DRD2 (0.46) MAPTGAAALDH1A1LMNAKMT2A
SCHEMBL9455326 0.81 L3MBTL1 (0.47) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL9529274 0.80 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL9697283 0.78 KCNH2 (0.41) MAPTALDH1A1LMNAKMT2ARAB9A
SCHEMBL9455297 0.76 KMT2A (0.42) MAPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL9530838 0.75 L3MBTL1 (0.46) MAPTNPY1RALDH1A1LMNADRD4
SCHEMBL9455188 0.74 L3MBTL1 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL6153220 0.73 ALDH1A1 (0.66) MAPTSMN1; SMN2GAAALDH1A1PKM
SCHEMBL9530260 0.71 SIGMAR1 (0.53) SMN1; SMN2GAAPKMDRD2DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359790-B1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5084454-A Tranquilizers and antinausea drugs FARMITALIA CARLO ERBA S.R.L. (IT) 1992-01-28 US disclosed